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2-(2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-5-methylthiazol-4-yl)aceticacid - 97%, high purity , CAS No.845885-88-3
Discover 2-(2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-5-methylthiazol-4-yl)aceticacid by Aladdin Scientific in 97% for only $245.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
845885-88-3 | 2-(2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-5-methylthiazol-4-yl)acetic acid | {2-[1-(tert-butoxycarbonyl)piperidin-4-yl]-5-methyl-1,3-thiazol-4-yl}acetic acid | 2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
2,4,5-trisubstituted thiazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - 2,4,5-trisubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
INCHI
InChI=1S/C16H24N2O4S/c1-10-12(9-13(19)20)17-14(23-10)11-5-7-18(8-6-11)15(21)22-16(2,3)4/h11H,5-9H2,1-4H3,(H,19,20)
InChIKey
IHHZQULPYDMAOP-UHFFFAOYSA-N
Smiles
CC1=C(N=C(S1)C2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O
Isomeric SMILES
CC1=C(N=C(S1)C2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O
PubChem CID
2794810
Molecular Weight
340.44
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
340.400 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
340.146 Da
Monoisotopic Mass
340.146 Da
Topological Polar Surface Area
108.000 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
444.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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